SARS-CoV-2 3CLpro-IN-14

Catalog No. :
ACYRHW511
CAS No. :
2945139-50-2
Molecular Formula :
C34H40F3N5O6S2
Molecular Weight :
735.85

IUPAC Name:(1R,3S,4S)-2-((2S)-2-(adamantan-1-yl)-2-((trifluoromethyl)sulfonamido)acetyl)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide

SARS-CoV-2 3CLpro-IN-14 structure diagram
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Product Information

Product NameSARS-CoV-2 3CLpro-IN-14
IUPAC Name(1R,3S,4S)-2-((2S)-2-(adamantan-1-yl)-2-((trifluoromethyl)sulfonamido)acetyl)-N-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
Molecular FormulaC34H40F3N5O6S2
Molecular Weight735.85
SMILESO=C1NCC[C@H]1C[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[C@@H](NS(=O)(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2)C(=O)C1=NC2=CC=CC=C2S1
InChI KeyVQSZXJGGYUWDES-DDIMPBCQSA-N
SynonymSARS-CoV-2 3CLpro-IN-14;2-Azabicyclo[2.2.1]heptane-3-carboxamide, N-[(1S)-2-(2-benzothiazolyl)-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]ethyl]-2-[(2S)-2-tricyclo[3.3.1.13,7]dec-1-yl-2-[[(trifluoromethyl)sulfonyl]amino]acetyl]-, (1R,3S,4S)-
CAS No.2945139-50-2

Synthetic Route by SureRoute

1. ACYRHW511 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  3. reactant_2 route compound structure diagram
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  5. ACYRHW511 route product structure diagram
    ACYRHW5112945139-50-2
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2. ACYRHW511 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACYRHW511 route product structure diagram
    ACYRHW5112945139-50-2
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